methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate

C20H16O5 — CID 7956911

IUPACmethyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H16O5/c1-23-20(22)15-7-9-17(10-8-15)25-19(21)13-24-18-11-6-14-4-2-3-5-16(14)12-18/h2-12H,13H2,1H3
InChIKeyXXFPZUVUHGITID-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.61
Rot. Bonds5

About methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate

methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate (PubChem CID 7956911) has the molecular formula C20H16O5 and a molecular weight of 336.34 g/mol. Its IUPAC name is methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate
PubChem CID7956911
Molecular FormulaC20H16O5
Molecular Weight336.34 g/mol
Exact Mass336.10
IUPAC Namemethyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H16O5/c1-23-20(22)15-7-9-17(10-8-15)25-19(21)13-24-18-11-6-14-4-2-3-5-16(14)12-18/h2-12H,13H2,1H3
InChIKeyXXFPZUVUHGITID-UHFFFAOYSA-N
XLogP3.61
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
CID 8001541
methyl 4-[2-(3-acetylphenoxy)acetyl]oxybenzoate
CID 2677908
methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate
CID 2677869
naphthalen-2-yl 2-(4-benzoylphenoxy)acetate
CID 7926828
naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
CID 19177831
(4-cyanophenyl) 2-naphthalen-2-yloxyacetate
CID 4095400
naphthalen-2-yl 2-(3-acetamidophenoxy)acetate
CID 18870014
methyl 4-[2-(2-cyanophenoxy)acetyl]oxybenzoate
CID 8961330
naphthalen-2-yl 2-(2-methoxyphenoxy)acetate
CID 7926826
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxybenzoate
CID 7761368
[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate
CID 55750737

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate?
The IUPAC name of methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate (CID 7956911) is methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate.
What is the SMILES notation for methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate?
The canonical SMILES for methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate is COC(=O)c1ccc(OC(=O)COc2ccc3ccccc3c2)cc1.
What is the InChIKey of methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate?
The InChIKey is XXFPZUVUHGITID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O5/c1-23-20(22)15-7-9-17(10-8-15)25-19(21)13-24-18-11-6-14-4-2-3-5-16(14)12-18/h2-12H,13H2,1H3.
What are the key properties of methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate?
methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate has a molecular weight of 336.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate is sourced from PubChem (CID 7956911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).